1-(1-adamantyl)-N-[3-[(2-ethylpyrazol-3-yl)carbonylamino]phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-[(2-ethylpyrazol-3-yl)carbonylamino]phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-[[(2-ethyl-3-pyrazolyl)-oxomethyl]amino]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C26H29N7O4 MolecularWeight: 503.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N7O4/c1-2-31-21(6-7-27-31)24(34)28-19-4-3-5-20(11-19)29-25(35)23-22(33(36)37)15-32(30-23)26-12-16-8-17(13-26)10-18(9-16)14-26/h3-7,11,15-18H,2,8-10,12-14H2,1H3,(H,28,34)(H,29,35)